Adaptive Finite Element Approximations for Kohn--Sham Models

DOI10.1137/130916096zbMath1316.35260arXiv1302.6896OpenAlexW2964313803MaRDI QIDQ5251794

Xin-Gao Gong, Aihui Zhou, Huajie Chen, Lianhua He, Xiaoying Dai

Publication date: 21 May 2015

Published in: Multiscale Modeling & Simulation (Search for Journal in Brave)

Full work available at URL: https://arxiv.org/abs/1302.6896

zbMATH Keywords

complexityconvergencenonlinear eigenvalue problemadaptive finite element approximationKohn-Sham density functional theory

Mathematics Subject Classification ID

Nonlinear eigenvalue problems and nonlinear spectral theory for PDEs (35P30) Error bounds for boundary value problems involving PDEs (65N15) Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics (81Q05) Finite element, Rayleigh-Ritz and Galerkin methods for boundary value problems involving PDEs (65N30) NLS equations (nonlinear Schrödinger equations) (35Q55) Numerical methods for eigenvalue problems for boundary value problems involving PDEs (65N25)

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